0180-0378 Screening compound: 1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid

0180-0378 Screening compound: 1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
0180-0378 Screening compound: 1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0378
1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0180-0378

Molecular Formula

C11H12ClNO4S (C11 H12 ClNO4 S)

Compound Name

1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid

IUPAC name

1-(4-chlorobenzenesulfonyl)pyrrolidine-2-carboxylic acid

SMILES

OC(C(CCC1)N1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C11H12ClNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m0/s1

InChI Key

JXMXHRZHMZMBDK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00172806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

-2.448

Water Solubility, LogSw

-2.64

Polar Surface Area

61.194

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

0180-0378 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0180-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0378?
Check Price and Availability of 0180-0378, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0180-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0378
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0180-0378 available by request